SCHEMBL4598435

SCHEMBL4598435

Cc1cc(F)ccc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1.Cc1oncc1C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3F)no2)C1.O=C(c1ccc(F)nc1)N1CCC[C@H](c2nc(-c3ccccc3F)no2)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD11B1 P28845 7/20 0.55
NPSR1 Q6W5P4 2/20 0.53
GRM5 P41594 1/20 0.50
CLPP Q16740 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4597554 0.94 ALDH1A1 (0.55) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4130449 0.85 ALDH1A1 (0.66) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4130445 0.85 ALDH1A1 (0.66) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4635935 0.84 HSD11B1 (0.48) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4138615 0.83 GRM5 (0.62) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4138624 0.83 GRM5 (0.62) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4136224 0.83 ALDH1A1 (0.68) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4136233 0.83 ALDH1A1 (0.68) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4152488 0.83 HSD11B1 (0.79) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4151267 0.83 HSD11B1 (0.63) ALDH1A1LMNATSHRHTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896463-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-12 EP claimed
WO-2006123249-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO claimed